SCHEMBL9446975

SCHEMBL9446975

CC(Oc1ccc(N)cc1)c1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
LTB4R Q15722 5/20 0.41
TLR8 Q9NR97 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8800187 0.81 ALDH1A3 (0.49) POLBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL9447021 0.79 ALDH1A1 (0.53) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL28308791 0.75 CYP1A2 (0.45) RAB9AKMT2ANPC1ALDH1A1KDM4E
SCHEMBL31373891 0.75 CYP1A2 (0.45) RAB9AKMT2ANPC1ALDH1A1KDM4E
SCHEMBL9585620 0.74 AKR1C3 (0.57) LTB4RALOX5APCYP1A2
SCHEMBL11250901 0.73 ALOX5 (0.54) POLBLTB4R
SCHEMBL22874558 0.73 POLB (0.53) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL27680072 0.73 MEN1 (0.49) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10660515 0.72 POLB (0.39) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL28457794 0.71 NCF1 (0.48) RAB9AMEN1KMT2ANPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed